SCHEMBL7474176

SCHEMBL7474176

COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
ALDH1A1 P00352 2/20 0.60
POLB P06746 2/20 0.60
GALR2 O43603 1/20 0.60
MITF O75030 1/20 0.60
HSP90AA1 P07900 1/20 0.60
HPGD P15428 1/20 0.60
XBP1 P17861 1/20 0.60
CCR6 P51684 1/20 0.60
SLC9A1 P19634 1/20 0.58
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6492987 0.89 LMNA (0.53) LMNASMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL13088438 0.87 SMN1; SMN2 (0.64) LMNASMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL7375343 0.86 SLC9A1 (0.61) LMNASMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL32659719 0.84 PDGFRB (0.51) LMNAALDH1A1POLBHPGDSLC9A1
SCHEMBL8611539 0.84 SLC9A1 (0.64) LMNASMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL14854666 0.83 ALDH1A1 (0.60) LMNASMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL26631746 0.83 NPSR1 (0.60) LMNASMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL8954112 0.82 SMN1; SMN2 (0.58) LMNASMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL6354726 0.82 SLC9A1 (0.59) LMNASMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL1786813 0.82 MEN1 (0.51) LMNAALDH1A1POLBHPGDSLC9A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920319-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-05-02 EP disclosed
WO-2001070227-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 2001-09-27 WO disclosed
US-6162813-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 2000-12-19 US disclosed
US-6150522-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 2000-11-21 US disclosed
US-6150352-A ARYLQUINOLONE ANALOGS MERCK & CO., INC. (US) 2000-11-21 US disclosed
US-6147088-A USEFUL FOR THE TREATMENT OF A VARIETY OF SEX-HORMONE RELATED CONDITIONS MERCK & CO., INC. (US) 2000-11-14 US disclosed
EP-0901471-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 1999-08-25 EP disclosed
EP-0918522-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 1999-08-18 EP disclosed
EP-0920319-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1999-06-09 EP disclosed
EP-0918522-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1999-06-02 EP disclosed
EP-0901471-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1999-03-17 EP disclosed
EP-0901489-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1999-03-17 EP disclosed
WO-1997044339-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-11-27 WO disclosed
WO-1997044041-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-11-27 WO disclosed
WO-1997044037-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-11-27 WO disclosed
WO-1997044321-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-11-27 WO disclosed